CID 368669

Nsc639787

Structural Information

Molecular Formula
C14H12N2O2Se2
SMILES
C1=CC(=CC=C1C(=O)N)[Se][Se]C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H12N2O2Se2/c15-13(17)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKey
IRWVZRBTHNBVFG-UHFFFAOYSA-N
Compound name
4-[(4-carbamoylphenyl)diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.9229 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.93018 186.5
[M+Na]+ 422.91212 191.1
[M-H]- 398.91562 191.1
[M+NH4]+ 417.95672 200.0
[M+K]+ 438.88606 186.5
[M+H-H2O]+ 382.92016 177.0
[M+HCOO]- 444.92110 208.3
[M+CH3COO]- 458.93675 208.0
[M+Na-2H]- 420.89757 185.7
[M]+ 399.92235 183.7
[M]- 399.92345 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.